3-(3-carbamimidoylphenyl)-3-[[4-pyrrolidin-1-ylcarbonyl-3-(trifluoromethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[[4-pyrrolidin-1-ylcarbonyl-3-(trifluoromethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-3-[[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)benzoyl]amino]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-3-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]-3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)benzoyl]amino]propanoic acid Traditional Name: 3-(3-amidinophenyl)-3-[[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)benzoyl]amino]propionic acid Formula: C23H23F3N4O4 MolecularWeight: 476.44833

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C(=N)N)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C(=N)N)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O4/c24-23(25,26)17-11-15(6-7-16(17)22(34)30-8-1-2-9-30)21(33)29-18(12-19(31)32)13-4-3-5-14(10-13)20(27)28/h3-7,10-11,18H,1-2,8-9,12H2,(H3,27,28)(H,29,33)(H,31,32)